N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C11H12N4OS — CID 110674219

IUPACN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H12N4OS/c16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9/h5-6H,1-4H2,(H,14,15)(H,12,13,16)
InChIKeyBNUBLHGTMNFHTD-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.00
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110674219) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110674219
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H12N4OS/c16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9/h5-6H,1-4H2,(H,14,15)(H,12,13,16)
InChIKeyBNUBLHGTMNFHTD-UHFFFAOYSA-N
XLogP2.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110674219) is N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1nccs1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is BNUBLHGTMNFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9/h5-6H,1-4H2,(H,14,15)(H,12,13,16).
What are the key properties of N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110674219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).